SCHEMBL7055432

SCHEMBL7055432

COc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)c[c]cc2Br)cc1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.73
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
LPAR1 Q92633 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7052439 0.85 NR3C1 (0.75) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL7052846 0.85 NR3C1 (0.67) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL7050566 0.85 NR3C1 (0.71) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL5632584 0.85 NR3C1 (1.00) NR3C1
SCHEMBL7050844 0.84 NR3C1 (0.85) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL5630623 0.84 NR3C1 (0.85) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL7053031 0.83 NR3C1 (0.83) NR3C1CTNNB1WNT3A
SCHEMBL7050568 0.82 NR3C1 (0.76) NR3C1ALDH1A1KDM4EGAANPC1
SCHEMBL7054408 0.82 NR3C1 (0.50) NR3C1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7684969 0.79 NR3C1 (0.88) NR3C1NPC1RAB9APOLBCTNNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP claimed